2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(5-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(5-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidino]-N-(5-chloro-2-methyl-phenyl)propionamide Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24ClN3OS/c1-14-7-8-17(23)13-19(14)24-21(27)15(2)26-11-9-16(10-12-26)22-25-18-5-3-4-6-20(18)28-22/h3-8,13,15-16H,9-12H2,1-2H3,(H,24,27)